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Rafal's code for NMR restraints
[django_unres.git]
/
django_simple
/
todo
/ views.py
2021-05-10
Cezary Czaplewski
Rafal's code for NMR restraints
master
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2020-09-03
Cezary Czaplewski
dock adv initial multiplex 3
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2020-09-03
Cezary Czaplewski
number of cluster > 9
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2020-09-03
Cezary Czaplewski
number of clusters <> 5
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2020-09-02
Cezary Czaplewski
preparation for number of clusters <> 5
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2020-03-05
Cezary Czaplewski
UNRES-Dock restart
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2020-02-27
Cezary Czaplewski
dock adv seq2 no pdbref correction
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2020-02-27
Cezary Czaplewski
dock adv correction seq2
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2020-02-25
Cezary Czaplewski
UNRES-Dock peptide sequence no pdb
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2020-02-05
Cezary Czaplewski
dock box size
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2020-02-05
Cezary Czaplewski
dock peptide adv
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2020-02-05
Cezary Czaplewski
dock peptide
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2020-02-05
Cezary Czaplewski
dock DockQ update 3
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2020-02-05
Cezary Czaplewski
dock DockQ update 2
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2020-02-04
Cezary Czaplewski
dock adv error corrected
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2020-02-04
Cezary Czaplewski
dock DockQ update
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2020-02-04
Cezary Czaplewski
dock DockQ
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2020-02-04
Cezary Czaplewski
docking working version
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2019-10-16
Cezary Czaplewski
NEWCT-9P force field
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2019-08-20
Cezary Czaplewski
button to download all files as zip archive
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2018-07-25
Cezary Czaplewski
limit for number of saved jobs
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2018-06-29
Cezary Czaplewski
default ntwx=1000
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2018-04-16
Cezary Czaplewski
restart conflict with preminim
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2018-04-11
Cezary Czaplewski
restart for lazyuser details1
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2018-04-10
Cezary Czaplewski
restart for md and remd
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2018-04-09
Cezary Czaplewski
docking - beta version, only basic
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2018-01-31
Cezary Czaplewski
show min running %
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2018-01-30
Cezary Czaplewski
tutorial update, d-amino correction
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2018-01-30
Cezary Czaplewski
long job names (40 char) no respa for D amino
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2018-01-29
Cezary Czaplewski
tutorial update and other changes
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2018-01-28
Cezary Czaplewski
adv remd 2nd SAXS example
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2018-01-28
Cezary Czaplewski
random SEED value in forms
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2018-01-25
Cezary Czaplewski
remd preminim maxfun input
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2018-01-24
Cezary Czaplewski
aminoacid list update and chain without CA correction
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2018-01-23
Cezary Czaplewski
T0882 example in advanced MREMD, checking of residue...
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2018-01-22
Cezary Czaplewski
pdbid:chain added
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2018-01-22
Cezary Czaplewski
FF2 name for E0LL2Y correction
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2018-01-22
Cezary Czaplewski
FF2 name for E0LL2Y
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2018-01-19
Cezary Czaplewski
secondary structure restraints correction
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2018-01-18
Cezary Czaplewski
secondary structure restraints for md and remd
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2018-01-09
Cezary Czaplewski
reading SSBOND corrected
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2018-01-08
Cezary Czaplewski
autorefresh index and details (login user)
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2018-01-02
Cezary Czaplewski
D aminoacid sequence codes from pdb
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2017-12-22
Cezary Czaplewski
switch for respa, D aminoacids, saxs tutorial, license
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2017-12-22
Cezary Czaplewski
saxs restraints
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2017-12-02
Cezary Czaplewski
remd output and tutorial update
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2017-11-21
Cezary Czaplewski
example re 1e0g correction
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2017-11-20
Cezary Czaplewski
examples correction
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2017-11-20
Cezary Czaplewski
use pdbid to load pdb and set all examples
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2017-11-20
Cezary Czaplewski
use pdbid to load pdb and set example input
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2017-11-17
Cezary Czaplewski
link/refresh single lazy job
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2017-11-11
Cezary Czaplewski
no empty name in single lazysignup job
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2017-11-11
Cezary Czaplewski
single job for all options
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2017-11-11
Cezary Czaplewski
single job without login details page with refresh
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2017-11-10
Cezary Czaplewski
BOX dimensions input in advanced mode
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2017-11-08
Cezary Czaplewski
django-lazysignup convert to reg user
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2017-11-08
Cezary Czaplewski
django-lazysignup
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2017-09-30
Cezary Czaplewski
MREMD different default temperatures for new ff
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2017-09-14
Cezary Czaplewski
sorting of index and refresh at the top
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2017-09-13
Cezary Czaplewski
ssbond and file open error exception
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2017-09-12
Cezary Czaplewski
pdb without CHAIN working again and plot fluct+bfactor
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2017-09-12
Cezary Czaplewski
problems with json ssbond
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2017-09-12
Cezary Czaplewski
pdb with alternative conformations
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2017-09-10
Cezary Czaplewski
ssbond multichain pdb
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2017-09-07
Cezary Czaplewski
ssbond with 1st res <> 1
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2017-08-27
Cezary Czaplewski
ntwe remd correction
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2017-08-27
Cezary Czaplewski
ntwx for remd (trajcache)
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2017-08-26
Cezary Czaplewski
new force field option
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2017-08-26
Cezary Czaplewski
tmscore print correction
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2017-08-26
Cezary Czaplewski
tmscore print format correction
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2017-08-26
Cezary Czaplewski
print remd tmscore
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2017-08-26
Cezary Czaplewski
remd prob. correction format
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2017-08-26
Cezary Czaplewski
remd prob. correction
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2017-08-26
Cezary Czaplewski
print remd cluster probability
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2017-08-26
Cezary Czaplewski
printout as on etoh
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2017-08-22
Cezary Czaplewski
processing of wham pdb only for task.type=='remd'
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2017-08-22
Cezary Czaplewski
changes of os.chdir(instance.jobdirname) os.chdir(...
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2017-08-21
Cezary Czaplewski
free energy and ave rmsd for models in remd
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2017-08-21
Cezary Czaplewski
initial git commit
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